Analysis of the Raman spectrum of SF 6

Abstract

The Raman active fundamentals ν 1( A1 g), ν 2( Eg), ν 5( F2 g), and the overtone 2 ν 6 of SF 6 have been investigated with a higher resolution and the band origins were estimated to be: ν 1 = 774.53 cm −1, ν 2 = 643.35 cm −1, ν 5 = 523.5 cm −1, and 2 ν 6 = 693.8 cm −1. Raman and infrared data have been combined for estimation of several anharmonicity constants. The ν 6 fundamental frequency is calculated as 347.0 cm −1. From the analysis of the ν 2 Raman band, the following rotational constants of both the ground and upper states have been calculated: B 0 = 0.09111 ± 0.00005 cm −1; D 0 = (0.16±0.08)10 −7 cm −1 ; B 2 = 0.09116 ± 0.00005 cm −1; D 2 = (0.18±0.04)10 −7 cm −1 .